Semiclassical Transition-State Theory Based on Fourth-Order Vibrational Perturbation Theory: The Symmetrical Eckart Barrier-Reference-Cited by-同舟云学术

Semiclassical Transition-State Theory Based on Fourth-Order Vibrational Perturbation Theory: The Symmetrical Eckart Barrier

Published:2016-07-05 Issue:14 Volume:7 Page:2708-2713
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Stanton John F.¹

Affiliation:

1. Institute for Theoretical Chemistry, Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712, United States

Funder

Division of Chemistry

Air Force Office of Scientific Research

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.6b01239

Reference29 articles.

1. Semi-classical theory for non-separable systems:. Construction of “good” action-angle variables for reaction rate constants

2. A practical implementation of semi-classical transition state theory for polyatomics

3. Reaction of HO with CO: Tunneling Is Indeed Important

4. Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO2

5. Theoretical Chemical Kinetics in Tropospheric Chemistry: Methodologies and Applications

Cited by 23 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Is Quantum Above-Barrier Reflection Important for Molecular Barrier Crossing Rates?;Journal of Chemical Theory and Computation;2024-09-11

2. A personal perspective of the present status and future challenges facing thermal reaction rate theory;The Journal of Chemical Physics;2024-04-19

3. Instanton-based Kramers turnover theory;Physical Review A;2024-02-26

4. Coupled Cluster Semiclassical Estimates of Experimental Reaction Rates: The Interconversion of Glycine Conformer VIp to Ip;The Journal of Physical Chemistry Letters;2023-10-31

5. Phosphine Reactivity and Its Implications for Pyrolysis Experiments and Astrochemistry;The Journal of Physical Chemistry A;2023-01-20